1-[(1S,3S)-3-methylcyclohexyl]-4-[(2-methylphenyl)methyl]piperazin-1-ium

Systemtic Name: 1-[(1S,3S)-3-methylcyclohexyl]-4-[(2-methylphenyl)methyl]piperazin-1-ium Openeye Name: 1-[(1S,3S)-3-methylcyclohexyl]-4-(o-tolylmethyl)piperazin-1-ium CAS Name: 1-[(1S,3S)-3-methylcyclohexyl]-4-[(2-methylphenyl)methyl]piperazin-1-ium IUPAC Name: 1-[(1S,3S)-3-methylcyclohexyl]-4-[(2-methylphenyl)methyl]piperazin-1-ium Traditional Name: 1-(2-methylbenzyl)-4-[(1S,3S)-3-methylcyclohexyl]piperazin-4-ium Formula: C19H31N2+ MolecularWeight: 287.46284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)[NH+]2CCN(CC2)CC3=CC=CC=C3C

Isomeric SMILES

C[C@H]1CCC[C@@H](C1)[NH+]2CCN(CC2)CC3=CC=CC=C3C

InChI

InChI=1S/C19H30N2/c1-16-6-5-9-19(14-16)21-12-10-20(11-13-21)15-18-8-4-3-7-17(18)2/h3-4,7-8,16,19H,5-6,9-15H2,1-2H3/p+1/t16-,19-/m0/s1